Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef40a7756e8d27962a56808ff06af0e6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 79.022,
"b": 79.022,
"c": 36.907,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.66658],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.877,1.20],
"number_observations_unique": 36830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.30
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.200],
"number_observations_unique": 898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [1.220,1.210],
"number_observations_unique": 890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.230,1.220],
"number_observations_unique": 887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.240,1.230],
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.250,1.240],
"number_observations_unique": 900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.270,1.250],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.280,1.270],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.290,1.280],
"number_observations_unique": 878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.310,1.290],
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.320,1.310],
"number_observations_unique": 909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.340,1.320],
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.350,1.340],
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.370,1.350],
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 96.00
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.390,1.370],
"number_observations_unique": 904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.400,1.390],
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.420,1.400],
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.440,1.420],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.460,1.440],
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.490,1.460],
"number_observations_unique": 901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.510,1.490],
"number_observations_unique": 911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.540,1.510],
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.570,1.540],
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.600,1.570],
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.700,1.660],
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.750,1.700],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.790,1.750],
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.150,2.050],
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.260,2.150],
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.400,2.260],
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.590,2.400],
"number_observations_unique": 952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.850,2.590],
"number_observations_unique": 964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.260,2.850],
"number_observations_unique": 961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.100,3.260],
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [100.00,4.100],
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}