Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f89ac7b3757c8fc9290cf59848ec6345",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 27.85,
"b": 86.51,
"c": 103.44,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.186,1.750],
"number_observations_unique": 25650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations_unique": 1748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.740
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.840,1.800],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.580
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations_unique": 1702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 1647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations_unique": 1510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.470,2.360],
"number_observations_unique": 1410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.610,2.470],
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.960,2.770],
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.200,2.960],
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.500,3.200],
"number_observations_unique": 1067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.910,3.500],
"number_observations_unique": 948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.520,3.910],
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [5.530,4.520],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [7.830,5.530],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [25.186,7.830],
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 21.9
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
}
]
}