Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15e8b05628a58ab2206056c385ea2145",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 84.749,
"b": 154.678,
"c": 79.147,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.574,1.790],
"number_observations_unique": 48807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 11977,
"number_observations_unique": 3603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.890,1.840],
"number_observations": 11726,
"number_observations_unique": 3497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.940,1.890],
"number_observations": 11502,
"number_observations_unique": 3398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.000,1.940],
"number_observations": 11459,
"number_observations_unique": 3324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.070,2.000],
"number_observations": 11223,
"number_observations_unique": 3218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 11005,
"number_observations_unique": 3119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations": 10606,
"number_observations_unique": 3008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations": 10224,
"number_observations_unique": 2900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations": 9921,
"number_observations_unique": 2808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.530,2.410],
"number_observations": 9316,
"number_observations_unique": 2654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.670,2.530],
"number_observations": 8897,
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.830,2.670],
"number_observations": 8447,
"number_observations_unique": 2421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.030,2.830],
"number_observations": 7804,
"number_observations_unique": 2257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.270,3.030],
"number_observations": 7200,
"number_observations_unique": 2100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.580,3.270],
"number_observations": 6674,
"number_observations_unique": 1912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.000,3.580],
"number_observations": 5843,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [4.620,4.000],
"number_observations": 4666,
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [5.660,4.620],
"number_observations": 4417,
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [8.010,5.660],
"number_observations": 3639,
"number_observations_unique": 1043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [39.574,8.010],
"number_observations": 1410,
"number_observations_unique": 487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 79.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}