Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02e8cf7f2e3299cf96b0f0aec235afa2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 209.83,
"b": 450.39,
"c": 621.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [122.100,2.600],
"number_observations": 8726049,
"number_observations_unique": 1770773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 8.840
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.928
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 582050,
"number_observations_unique": 130463,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.287
},
{
"type": "R(meas)",
"value": 1.456
},
{
"type": "I/SigI",
"value": 1.010
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.461
},
{
"type": "CC(1/2)",
"value": 0.180
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations": 572185,
"number_observations_unique": 127179,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.059
},
{
"type": "R(meas)",
"value": 1.198
},
{
"type": "I/SigI",
"value": 1.240
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.499
},
{
"type": "CC(1/2)",
"value": 0.255
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations": 553806,
"number_observations_unique": 123882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.880
},
{
"type": "R(meas)",
"value": 0.997
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.470
},
{
"type": "CC(1/2)",
"value": 0.333
}
]
},
{
"resolution_limits": [2.910,2.820],
"number_observations": 502479,
"number_observations_unique": 119187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "I/SigI",
"value": 1.890
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.216
},
{
"type": "CC(1/2)",
"value": 0.432
}
]
},
{
"resolution_limits": [3.000,2.910],
"number_observations": 587484,
"number_observations_unique": 116960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "R(meas)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 2.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.023
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [3.110,3.000],
"number_observations": 593159,
"number_observations_unique": 113043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 3.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.247
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
},
{
"resolution_limits": [3.220,3.110],
"number_observations": 580351,
"number_observations_unique": 109182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 5.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.315
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [3.360,3.220],
"number_observations": 555387,
"number_observations_unique": 105060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.286
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [3.510,3.360],
"number_observations": 530640,
"number_observations_unique": 100898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 7.990
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.259
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [3.680,3.510],
"number_observations": 501355,
"number_observations_unique": 96428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 9.470
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.199
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [3.880,3.680],
"number_observations": 465479,
"number_observations_unique": 91685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.077
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [4.110,3.880],
"number_observations": 419923,
"number_observations_unique": 86717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 13.030
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.842
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [4.390,4.110],
"number_observations": 372839,
"number_observations_unique": 79960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 14.580
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.663
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.750,4.390],
"number_observations": 403364,
"number_observations_unique": 76075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 17.640
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.302
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [5.200,4.750],
"number_observations": 366563,
"number_observations_unique": 70108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 19.250
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.229
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.810,5.200],
"number_observations": 328292,
"number_observations_unique": 63595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 20.340
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.162
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [6.710,5.810],
"number_observations": 289055,
"number_observations_unique": 56195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 20.250
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.144
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [8.220,6.710],
"number_observations": 220888,
"number_observations_unique": 46930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 22.010
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.707
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [11.630,8.220],
"number_observations": 192697,
"number_observations_unique": 36657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 27.310
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.257
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [122.100,11.630],
"number_observations": 108053,
"number_observations_unique": 20569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 32.180
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.253
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}