Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f9d69ab2263eca8e9cafadb2776a5c6",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 75.52,
"b": 78.56,
"c": 89.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.210],
"number_observations": 100946,
"number_observations_unique": 26533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.210],
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.697
},
{
"type": "R(pim)",
"value": 0.416
},
{
"type": "Completeness",
"value": 51.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
},
{
"resolution_limits": [2.290,2.250],
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
},
{
"resolution_limits": [2.330,2.290],
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.737
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [2.380,2.330],
"number_observations_unique": 1349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.610
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [2.490,2.430],
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "R(meas)",
"value": 0.527
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [2.550,2.490],
"number_observations_unique": 1356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [2.620,2.550],
"number_observations_unique": 1351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [2.700,2.620],
"number_observations_unique": 1340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.780,2.700],
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [2.880,2.780],
"number_observations_unique": 1329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.000,2.880],
"number_observations_unique": 1366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.140,3.000],
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.300,3.140],
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.510,3.300],
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.780,3.510],
"number_observations_unique": 1378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.160,3.780],
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.760,4.160],
"number_observations_unique": 1384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.000,4.760],
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [50.000,6.000],
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}