Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1cc046696eb8f43fb219bd56de9b450f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.24,
"b": 159.48,
"c": 178.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.810,2.300],
"number_observations": 896575,
"number_observations_unique": 132891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 11.040
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.747
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 69149,
"number_observations_unique": 9791,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.512
},
{
"type": "R(meas)",
"value": 2.711
},
{
"type": "I/SigI",
"value": 0.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.063
},
{
"type": "CC(1/2)",
"value": 0.257
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations": 66810,
"number_observations_unique": 9499,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.883
},
{
"type": "R(meas)",
"value": 2.033
},
{
"type": "I/SigI",
"value": 1.080
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.033
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 64336,
"number_observations_unique": 9272,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.394
},
{
"type": "R(meas)",
"value": 1.507
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.939
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 61493,
"number_observations_unique": 9010,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.096
},
{
"type": "R(meas)",
"value": 1.187
},
{
"type": "I/SigI",
"value": 1.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.825
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 56914,
"number_observations_unique": 8743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "R(meas)",
"value": 0.919
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.510
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 55849,
"number_observations_unique": 8476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.742
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.589
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 56915,
"number_observations_unique": 8187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 4.020
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.952
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations": 55536,
"number_observations_unique": 7865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.061
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations": 52971,
"number_observations_unique": 7577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 7.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.991
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations": 49893,
"number_observations_unique": 7204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 9.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.926
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.430,3.250],
"number_observations": 45812,
"number_observations_unique": 6927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 12.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.614
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.640,3.430],
"number_observations": 42122,
"number_observations_unique": 6540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 15.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.441
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.890,3.640],
"number_observations": 37092,
"number_observations_unique": 5551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 6.682
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.200,3.890],
"number_observations": 39020,
"number_observations_unique": 5728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 24.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.812
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.600,4.200],
"number_observations": 34919,
"number_observations_unique": 5294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 28.870
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.596
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations": 29232,
"number_observations_unique": 4810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 29.890
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.077
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.940,5.140],
"number_observations": 27375,
"number_observations_unique": 4266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 30.330
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.417
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.270,5.940],
"number_observations": 24185,
"number_observations_unique": 3644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 33.560
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.637
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.290,7.270],
"number_observations": 17105,
"number_observations_unique": 2857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 40.260
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.987
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [72.810,10.290],
"number_observations": 9847,
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 46.180
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.968
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}