Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d36033dbc6d92c233b5f6a7134b487e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.504,
"b": 53.841,
"c": 75.144,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.57,1.050],
"number_observations": 406491,
"number_observations_unique": 62379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 14.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.550
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 30148,
"number_observations_unique": 4527,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.122
},
{
"type": "R(meas)",
"value": 1.217
},
{
"type": "I/SigI",
"value": 1.670
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.660
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [1.110,1.080],
"number_observations": 29253,
"number_observations_unique": 4409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "R(meas)",
"value": 0.873
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.635
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [1.140,1.110],
"number_observations": 28360,
"number_observations_unique": 4329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(meas)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.551
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [1.170,1.140],
"number_observations": 27007,
"number_observations_unique": 4205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 3.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.423
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [1.210,1.170],
"number_observations": 24702,
"number_observations_unique": 4068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 4.230
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.072
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [1.250,1.210],
"number_observations": 25736,
"number_observations_unique": 3946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.522
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.300,1.250],
"number_observations": 25823,
"number_observations_unique": 3811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.776
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.360,1.300],
"number_observations": 24772,
"number_observations_unique": 3679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 7.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.733
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.420,1.360],
"number_observations": 23520,
"number_observations_unique": 3523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 9.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.676
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.480,1.420],
"number_observations": 21951,
"number_observations_unique": 3386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 11.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.483
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.570,1.480],
"number_observations": 19722,
"number_observations_unique": 3220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 14.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.125
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.660,1.570],
"number_observations": 21099,
"number_observations_unique": 3050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 20.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.918
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.770,1.660],
"number_observations": 19691,
"number_observations_unique": 2874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 25.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.851
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.920,1.770],
"number_observations": 18092,
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 31.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.681
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.100,1.920],
"number_observations": 15663,
"number_observations_unique": 2483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 38.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.308
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.350,2.100],
"number_observations": 13828,
"number_observations_unique": 2269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 43.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.094
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.710,2.350],
"number_observations": 13465,
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 48.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.699
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.320,2.710],
"number_observations": 10926,
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 52.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.386
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.700,3.320],
"number_observations": 7777,
"number_observations_unique": 1366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 54.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.693
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.580,4.700],
"number_observations": 4956,
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 56.360
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.111
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}