Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd320d8413addfc50cfb3f54c6c96b81",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.056,
"b": 85.351,
"c": 129.090,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations": 200282,
"number_observations_unique": 28668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.879
},
{
"type": "R(meas)",
"value": 0.948
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.714
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.791
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.697
},
{
"type": "R(meas)",
"value": 0.751
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.580
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.461
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.453
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 1406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 1425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 1421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 1421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 1462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 1459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 1493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,5.700],
"number_observations_unique": 1558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}