Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba13fda7755ceb4ed3ba908c356b73b5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 87.14,
"b": 118.11,
"c": 94.93,
"alpha": 90.000,
"beta": 100.424,
"gamma": 90.000
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.53,3.500],
"number_observations_unique": 23921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 20.670
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.583
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.590,3.500],
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "R(meas)",
"value": 0.681
},
{
"type": "I/SigI",
"value": 4.640
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.322
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.690,3.590],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 5.770
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.314
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.800,3.690],
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 7.560
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.183
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.910,3.800],
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 8.520
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.121
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.040,3.910],
"number_observations_unique": 1584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 11.110
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.946
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.180,4.040],
"number_observations_unique": 1527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 13.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.910
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.340,4.180],
"number_observations_unique": 1482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 16.350
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.602
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.520,4.340],
"number_observations_unique": 1397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 18.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.815
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.720,4.520],
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 21.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.611
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.950,4.720],
"number_observations_unique": 1296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 23.440
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.073
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.220,4.950],
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 25.520
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 14.222
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.530,5.220],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.984
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.920,5.530],
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 27.230
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.808
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.390,5.920],
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 29.770
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.028
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.000,6.390],
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 32.850
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.963
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.830,7.000],
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 42.970
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.488
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.040,7.830],
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 50.710
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.802
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [11.070,9.040],
"number_observations_unique": 642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 52.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.101
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [15.650,11.070],
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 49.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.606
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}