Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e14337b3761eff4f493e4d852f36f720",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.03,
"b": 49.77,
"c": 92.57,
"alpha": 93.27,
"beta": 102.80,
"gamma": 108.49
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.270,1.300],
"number_observations": 1583338,
"number_observations_unique": 164848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 10.750
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 9.605
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations": 85842,
"number_observations_unique": 11383,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.280
},
{
"type": "R(meas)",
"value": 1.373
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 7.541
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [1.370,1.330],
"number_observations": 83533,
"number_observations_unique": 10942,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.030
},
{
"type": "R(meas)",
"value": 1.104
},
{
"type": "I/SigI",
"value": 1.860
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 7.634
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [1.410,1.370],
"number_observations": 77253,
"number_observations_unique": 10124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "R(meas)",
"value": 0.911
},
{
"type": "I/SigI",
"value": 2.220
},
{
"type": "Completeness",
"value": 81.500
},
{
"type": "Redundancy",
"value": 7.631
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [1.450,1.410],
"number_observations": 83759,
"number_observations_unique": 10813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "R(meas)",
"value": 0.743
},
{
"type": "I/SigI",
"value": 2.780
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 7.746
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [1.500,1.450],
"number_observations": 81493,
"number_observations_unique": 10411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 3.430
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 7.828
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [1.550,1.500],
"number_observations": 114914,
"number_observations_unique": 10743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "R(meas)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 10.697
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.610,1.550],
"number_observations": 106932,
"number_observations_unique": 10353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 5.520
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 10.329
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.680,1.610],
"number_observations": 104144,
"number_observations_unique": 10002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 6.650
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 10.412
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.750,1.680],
"number_observations": 105641,
"number_observations_unique": 9664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 8.410
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 10.931
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations": 99849,
"number_observations_unique": 9278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 10.530
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 10.762
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.940,1.840],
"number_observations": 92638,
"number_observations_unique": 8807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 13.080
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 10.519
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.060,1.940],
"number_observations": 85376,
"number_observations_unique": 8366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 15.210
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 10.205
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.200,2.060],
"number_observations": 85450,
"number_observations_unique": 7933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 18.820
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 10.771
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.370,2.200],
"number_observations": 78218,
"number_observations_unique": 7373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 21.320
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 10.609
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.600,2.370],
"number_observations": 73020,
"number_observations_unique": 6846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 22.860
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.666
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.910,2.600],
"number_observations": 62355,
"number_observations_unique": 6150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 24.020
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.139
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.360,2.910],
"number_observations": 56438,
"number_observations_unique": 5463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 26.780
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 10.331
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.110,3.360],
"number_observations": 48861,
"number_observations_unique": 4629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 29.020
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.555
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.810,4.110],
"number_observations": 35983,
"number_observations_unique": 3587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 28.560
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.032
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [39.270,5.810],
"number_observations": 21639,
"number_observations_unique": 1981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 30.510
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.923
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}