Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a187fd8915dabe196cfe1aa76ad4c23",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 126.166,
"b": 126.166,
"c": 89.197,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.150],
"number_observations": 180060,
"number_observations_unique": 43555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.150],
"number_observations_unique": 2230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "R(meas)",
"value": 0.823
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [2.230,2.190],
"number_observations_unique": 2205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "R(meas)",
"value": 0.778
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [2.270,2.230],
"number_observations_unique": 2210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.730
},
{
"type": "R(pim)",
"value": 0.371
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [2.320,2.270],
"number_observations_unique": 2200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.562
},
{
"type": "R(meas)",
"value": 0.656
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 2232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
"value": 0.549
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "R(pim)",
"value": 0.227
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 2242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.620,2.550],
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [2.710,2.620],
"number_observations_unique": 2196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.296
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.810,2.710],
"number_observations_unique": 2239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.920,2.810],
"number_observations_unique": 2188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.050,2.920],
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.210,3.050],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.410,3.210],
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.680,3.410],
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.050,3.680],
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.630,4.050],
"number_observations_unique": 2097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.830,4.630],
"number_observations_unique": 1979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [40.000,5.830],
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}