Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4ed75f7acd9ea7da7e12067a808b28b",
"space_group_name": "P 3 1 c",
"unit_cell": {
"a": 51.03,
"b": 51.03,
"c": 36.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.510,0.900],
"number_observations": 68716,
"number_observations_unique": 30646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 5.850
},
{
"type": "Completeness",
"value": 78.700
},
{
"type": "Redundancy",
"value": 2.242
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [0.920,0.900],
"number_observations": 4533,
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "R(meas)",
"value": 0.572
},
{
"type": "I/SigI",
"value": 2.160
},
{
"type": "Completeness",
"value": 66.400
},
{
"type": "Redundancy",
"value": 2.388
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [0.950,0.920],
"number_observations": 4713,
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 2.720
},
{
"type": "Completeness",
"value": 68.000
},
{
"type": "Redundancy",
"value": 2.453
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [0.980,0.950],
"number_observations": 4693,
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 3.280
},
{
"type": "Completeness",
"value": 70.900
},
{
"type": "Redundancy",
"value": 2.430
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.010,0.980],
"number_observations": 4592,
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 72.100
},
{
"type": "Redundancy",
"value": 2.385
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.040,1.010],
"number_observations": 4198,
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 3.820
},
{
"type": "Completeness",
"value": 73.100
},
{
"type": "Redundancy",
"value": 2.244
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.080,1.040],
"number_observations": 4563,
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 4.290
},
{
"type": "Completeness",
"value": 78.200
},
{
"type": "Redundancy",
"value": 2.353
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.120,1.080],
"number_observations": 4443,
"number_observations_unique": 1927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 5.360
},
{
"type": "Completeness",
"value": 80.000
},
{
"type": "Redundancy",
"value": 2.306
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.160,1.120],
"number_observations": 4268,
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 5.540
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 2.256
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.210,1.160],
"number_observations": 3953,
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 5.820
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 2.202
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.270,1.210],
"number_observations": 3551,
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 6.220
},
{
"type": "Completeness",
"value": 78.800
},
{
"type": "Redundancy",
"value": 2.119
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.340,1.270],
"number_observations": 3841,
"number_observations_unique": 1761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 6.810
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 2.181
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.420,1.340],
"number_observations": 3566,
"number_observations_unique": 1655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 7.150
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 2.155
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.520,1.420],
"number_observations": 3303,
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.520
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.101
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.640,1.520],
"number_observations": 3020,
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 8.090
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.086
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.800,1.640],
"number_observations": 2531,
"number_observations_unique": 1220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 8.790
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 2.075
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.010,1.800],
"number_observations": 2655,
"number_observations_unique": 1274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 2.084
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.320,2.010],
"number_observations": 2333,
"number_observations_unique": 1119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 9.790
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.085
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.850,2.320],
"number_observations": 1876,
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 10.150
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 2.129
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.030,2.850],
"number_observations": 1303,
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 76.100
},
{
"type": "Redundancy",
"value": 2.161
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [25.510,4.030],
"number_observations": 781,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 9.470
},
{
"type": "Completeness",
"value": 76.800
},
{
"type": "Redundancy",
"value": 2.311
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}