Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8aeed4c708d5927173c9cd64a9aa42fa",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.56,
"b": 89.56,
"c": 106.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.65,1.940],
"number_observations": 303829,
"number_observations_unique": 36996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 10.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 21232,
"number_observations_unique": 2739,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.340
},
{
"type": "R(meas)",
"value": 1.436
},
{
"type": "I/SigI",
"value": 1.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [2.050,1.990],
"number_observations": 22227,
"number_observations_unique": 2617,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.092
},
{
"type": "R(meas)",
"value": 1.163
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [2.100,2.050],
"number_observations": 20765,
"number_observations_unique": 2520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "I/SigI",
"value": 2.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [2.170,2.100],
"number_observations": 21266,
"number_observations_unique": 2520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.760
},
{
"type": "R(meas)",
"value": 0.809
},
{
"type": "I/SigI",
"value": 2.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations": 20503,
"number_observations_unique": 2434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "I/SigI",
"value": 3.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.320,2.240],
"number_observations": 18909,
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 4.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [2.410,2.320],
"number_observations": 18533,
"number_observations_unique": 2266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 5.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.500,2.410],
"number_observations": 17839,
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 6.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.620,2.500],
"number_observations": 17597,
"number_observations_unique": 2097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 7.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.740,2.620],
"number_observations": 16917,
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 9.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.890,2.740],
"number_observations": 15833,
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 11.220
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.070,2.890],
"number_observations": 14960,
"number_observations_unique": 1790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 13.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.280,3.070],
"number_observations": 13955,
"number_observations_unique": 1699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.540,3.280],
"number_observations": 13709,
"number_observations_unique": 1611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 21.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.880,3.540],
"number_observations": 11772,
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 25.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.340,3.880],
"number_observations": 10764,
"number_observations_unique": 1337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 29.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.010,4.340],
"number_observations": 9427,
"number_observations_unique": 1187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 32.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.140,5.010],
"number_observations": 8000,
"number_observations_unique": 1022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 31.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.680,6.140],
"number_observations": 6238,
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 32.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [62.65,8.680],
"number_observations": 3383,
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}