Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e74d12bc18fdb4b648492975cb8bd069",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.420,
"b": 126.927,
"c": 102.027,
"alpha": 90.00,
"beta": 92.74,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.89],
"number_observations_unique": 27100,
"quality_factors": [
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.44
}
]
},
"refln_shells": [
{
"resolution_limits": [2.95,2.89],
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.967
},
{
"type": "R(meas)",
"value": 4.562
},
{
"type": "R(pim)",
"value": 2.161
},
{
"type": "Completeness",
"value": 90.0
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.442
}
]
},
{
"resolution_limits": [3.00,2.95],
"number_observations_unique": 1278,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.250
},
{
"type": "R(meas)",
"value": 2.555
},
{
"type": "R(pim)",
"value": 1.165
},
{
"type": "Completeness",
"value": 92.7
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
},
{
"resolution_limits": [3.06,3.00],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.882
},
{
"type": "R(meas)",
"value": 2.107
},
{
"type": "R(pim)",
"value": 0.920
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [3.12,3.06],
"number_observations_unique": 1316,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.099
},
{
"type": "R(meas)",
"value": 1.218
},
{
"type": "R(pim)",
"value": 0.511
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [3.19,3.12],
"number_observations_unique": 1296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.802
},
{
"type": "R(meas)",
"value": 0.881
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [3.27,3.19],
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [3.35,3.27],
"number_observations_unique": 1355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [3.44,3.35],
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.468
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [3.54,3.44],
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [3.65,3.54],
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.78,3.65],
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 8.7
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.94,3.78],
"number_observations_unique": 1381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.11,3.94],
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.33,4.11],
"number_observations_unique": 1351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.60,4.33],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.96,4.60],
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.46,4.96],
"number_observations_unique": 1383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.24,5.46],
"number_observations_unique": 1405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.86,6.24],
"number_observations_unique": 1392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 11.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,7.86],
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}