Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e6b2be410606283b5b3c509ca6b2152",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.57,
"b": 89.57,
"c": 106.44,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.69,1.900],
"number_observations": 384144,
"number_observations_unique": 39413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 24900,
"number_observations_unique": 2869,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.280
},
{
"type": "R(meas)",
"value": 1.362
},
{
"type": "I/SigI",
"value": 1.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations": 26703,
"number_observations_unique": 2795,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.108
},
{
"type": "R(meas)",
"value": 1.171
},
{
"type": "I/SigI",
"value": 1.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 27722,
"number_observations_unique": 2728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.912
},
{
"type": "R(meas)",
"value": 0.961
},
{
"type": "I/SigI",
"value": 2.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 26048,
"number_observations_unique": 2669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.779
},
{
"type": "R(meas)",
"value": 0.823
},
{
"type": "I/SigI",
"value": 2.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations": 25908,
"number_observations_unique": 2571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations": 24195,
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 4.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations": 22866,
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 5.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations": 22157,
"number_observations_unique": 2295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 6.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations": 21180,
"number_observations_unique": 2227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations": 21805,
"number_observations_unique": 2134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 10.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations": 20608,
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 12.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations": 19029,
"number_observations_unique": 1934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 14.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations": 18225,
"number_observations_unique": 1825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 18.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations": 17597,
"number_observations_unique": 1697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 15731,
"number_observations_unique": 1559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 29.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations": 14094,
"number_observations_unique": 1436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 33.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations": 12343,
"number_observations_unique": 1264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 38.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations": 10694,
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 36.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations": 7841,
"number_observations_unique": 845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 36.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [62.69,8.500],
"number_observations": 4498,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 43.770
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}