Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0240a49e2ed6d6c6d8022f6118598410",
"space_group_name": "P 1",
"unit_cell": {
"a": 54.867,
"b": 58.312,
"c": 78.122,
"alpha": 82.880,
"beta": 87.465,
"gamma": 72.813
},
"wavelengths": [0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.0],
"number_observations_unique": 58675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.020],
"number_observations_unique": 2893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.276
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 2866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [2.130,2.090],
"number_observations_unique": 2861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [2.180,2.130],
"number_observations_unique": 2948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [2.270,2.220],
"number_observations_unique": 2919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations_unique": 3006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [2.390,2.330],
"number_observations_unique": 2908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [2.470,2.390],
"number_observations_unique": 2933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [2.540,2.470],
"number_observations_unique": 2883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.640,2.540],
"number_observations_unique": 2933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [2.740,2.640],
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.870,2.740],
"number_observations_unique": 2993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [3.020,2.870],
"number_observations_unique": 2967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.210,3.020],
"number_observations_unique": 2938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.450,3.210],
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.800,3.450],
"number_observations_unique": 2945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.350,3.800],
"number_observations_unique": 2973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.480,4.350],
"number_observations_unique": 2932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [50.000,5.480],
"number_observations_unique": 2977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}