Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40c2af6ea93c28a226556f63a9d13cee",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.159,
"b": 52.419,
"c": 108.615,
"alpha": 90.00,
"beta": 100.58,
"gamma": 90.00
},
"wavelengths": [1.37800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.240],
"number_observations_unique": 24547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 1124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [2.320,2.280],
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [2.360,2.320],
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.506
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [2.410,2.360],
"number_observations_unique": 1238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [2.470,2.410],
"number_observations_unique": 1201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.476
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [2.520,2.470],
"number_observations_unique": 1226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [2.590,2.520],
"number_observations_unique": 1237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 1216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 1237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.820,2.730],
"number_observations_unique": 1210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.920,2.820],
"number_observations_unique": 1253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [3.040,2.920],
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.180,3.040],
"number_observations_unique": 1220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.350,3.180],
"number_observations_unique": 1245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.560,3.350],
"number_observations_unique": 1242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.830,3.560],
"number_observations_unique": 1238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.220,3.830],
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.820,4.220],
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.080,4.820],
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,6.080],
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}