Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68758126b6c14545d6ef1a07cd8b727e",
"space_group_name": "P 1",
"unit_cell": {
"a": 38.43,
"b": 40.08,
"c": 65.21,
"alpha": 82.08,
"beta": 84.95,
"gamma": 70.87
},
"wavelengths": [0.96500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.520,1.560],
"number_observations": 170314,
"number_observations_unique": 49476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 7.750
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.442
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.560],
"number_observations": 10095,
"number_observations_unique": 2997,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.213
},
{
"type": "R(meas)",
"value": 1.437
},
{
"type": "I/SigI",
"value": 1.060
},
{
"type": "Completeness",
"value": 77.700
},
{
"type": "Redundancy",
"value": 3.368
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [1.640,1.600],
"number_observations": 12622,
"number_observations_unique": 3514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.906
},
{
"type": "R(meas)",
"value": 1.066
},
{
"type": "I/SigI",
"value": 1.580
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.592
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [1.690,1.640],
"number_observations": 12652,
"number_observations_unique": 3537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.716
},
{
"type": "R(meas)",
"value": 0.843
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.577
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [1.740,1.690],
"number_observations": 12031,
"number_observations_unique": 3402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.536
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [1.800,1.740],
"number_observations": 11392,
"number_observations_unique": 3242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 3.340
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.514
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [1.860,1.800],
"number_observations": 11059,
"number_observations_unique": 3209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.446
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.930,1.860],
"number_observations": 9758,
"number_observations_unique": 3043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 5.260
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.207
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.010,1.930],
"number_observations": 9058,
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.056
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.100,2.010],
"number_observations": 8920,
"number_observations_unique": 2787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 7.570
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.201
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations": 9986,
"number_observations_unique": 2750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 9.310
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.631
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.320,2.200],
"number_observations": 9139,
"number_observations_unique": 2608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 10.380
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.504
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations": 8969,
"number_observations_unique": 2480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 11.420
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.617
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.630,2.460],
"number_observations": 8404,
"number_observations_unique": 2352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 12.330
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.573
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations": 7604,
"number_observations_unique": 2200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 13.060
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.456
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.110,2.840],
"number_observations": 6936,
"number_observations_unique": 2013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.446
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.480,3.110],
"number_observations": 5764,
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.540
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.193
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.020,3.480],
"number_observations": 4795,
"number_observations_unique": 1577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 16.150
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.041
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.920,4.020],
"number_observations": 5012,
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 18.990
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.688
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [6.960,4.920],
"number_observations": 3997,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 19.010
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.785
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [64.520,6.960],
"number_observations": 2121,
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 19.470
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.651
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}