Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a4aabe1d47cd596b644ecd0ce76afad",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 83.707,
"b": 91.171,
"c": 118.333,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.32,2.020],
"number_observations": 396433,
"number_observations_unique": 60055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 10.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.601
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"number_observations": 29757,
"number_observations_unique": 4413,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.586
},
{
"type": "R(meas)",
"value": 2.800
},
{
"type": "I/SigI",
"value": 0.750
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.743
},
{
"type": "CC(1/2)",
"value": 0.307
}
]
},
{
"resolution_limits": [2.130,2.070],
"number_observations": 28002,
"number_observations_unique": 4224,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.178
},
{
"type": "R(meas)",
"value": 2.362
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.629
},
{
"type": "CC(1/2)",
"value": 0.347
}
]
},
{
"resolution_limits": [2.190,2.130],
"number_observations": 26273,
"number_observations_unique": 4152,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.750
},
{
"type": "R(meas)",
"value": 1.907
},
{
"type": "I/SigI",
"value": 1.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.328
},
{
"type": "CC(1/2)",
"value": 0.491
}
]
},
{
"resolution_limits": [2.260,2.190],
"number_observations": 26786,
"number_observations_unique": 4049,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.302
},
{
"type": "R(meas)",
"value": 1.412
},
{
"type": "I/SigI",
"value": 1.590
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.615
},
{
"type": "CC(1/2)",
"value": 0.632
}
]
},
{
"resolution_limits": [2.330,2.260],
"number_observations": 27174,
"number_observations_unique": 3940,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.033
},
{
"type": "R(meas)",
"value": 1.116
},
{
"type": "I/SigI",
"value": 2.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.897
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [2.410,2.330],
"number_observations": 25987,
"number_observations_unique": 3813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.834
},
{
"type": "R(meas)",
"value": 0.903
},
{
"type": "I/SigI",
"value": 2.560
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.815
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [2.510,2.410],
"number_observations": 24247,
"number_observations_unique": 3621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "I/SigI",
"value": 3.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.696
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [2.610,2.510],
"number_observations": 22786,
"number_observations_unique": 3555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 3.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.410
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [2.720,2.610],
"number_observations": 21394,
"number_observations_unique": 3382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 5.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.326
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.860,2.720],
"number_observations": 22455,
"number_observations_unique": 3255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.899
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [3.010,2.860],
"number_observations": 21324,
"number_observations_unique": 3111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 9.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.854
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.190,3.010],
"number_observations": 19840,
"number_observations_unique": 2944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 12.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.739
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.410,3.190],
"number_observations": 17626,
"number_observations_unique": 2774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 16.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.354
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.690,3.410],
"number_observations": 16783,
"number_observations_unique": 2571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 22.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.528
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.040,3.690],
"number_observations": 16402,
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 28.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.820
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.520,4.040],
"number_observations": 14322,
"number_observations_unique": 2166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 32.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.612
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.220,4.520],
"number_observations": 11731,
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 32.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.050
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.390,5.220],
"number_observations": 10899,
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 32.940
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.578
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.030,6.390],
"number_observations": 8186,
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.470
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.244
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.320,9.030],
"number_observations": 4459,
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 45.080
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.768
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}