Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77553bb61af078fd7fcb3c548bdb14f2",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 72.773,
"b": 72.773,
"c": 415.269,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,4.2740],
"number_observations_unique": 8463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
"refln_shells": [
{
"resolution_limits": [4.370,4.300],
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.737
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [4.450,4.370],
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "R(meas)",
"value": 0.697
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [4.540,4.450],
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.664
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [4.630,4.540],
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.611
},
{
"type": "R(meas)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [4.730,4.630],
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [4.840,4.730],
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [4.960,4.840],
"number_observations_unique": 423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [5.100,4.960],
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [5.250,5.100],
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "R(meas)",
"value": 0.533
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [5.420,5.250],
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [5.610,5.420],
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [5.830,5.610],
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [6.100,5.830],
"number_observations_unique": 441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [6.420,6.100],
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [6.820,6.420],
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [7.350,6.820],
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [8.080,7.350],
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [9.250,8.080],
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [11.630,9.250],
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,11.630],
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}