Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "722f128d74ca17750c5d31e4f1b5a025",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 59.553,
"b": 39.565,
"c": 65.016,
"alpha": 90.0,
"beta": 106.4,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations": 42385,
"number_observations_unique": 9752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 97
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.668
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.592
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.384
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,5.430],
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}