Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb7ba12ff31a36be327f72eaa23c47de",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 90.549,
"b": 90.549,
"c": 278.000,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.37762],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.11,2.450],
"number_observations": 205921,
"number_observations_unique": 36438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.450],
"number_observations_unique": 1228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.832
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [2.540,2.490],
"number_observations_unique": 1244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "R(pim)",
"value": 0.243
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 1243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "R(meas)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 1251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.760,2.700],
"number_observations_unique": 1245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.830,2.760],
"number_observations_unique": 1276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.900,2.830],
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.990,2.900],
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.090,2.990],
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.200,3.090],
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.320,3.200],
"number_observations_unique": 1268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.480,3.320],
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.660,3.480],
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.890,3.660],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.190,3.890],
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.610,4.190],
"number_observations_unique": 1258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.280,4.610],
"number_observations_unique": 1282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.650,5.280],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,6.650],
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}