Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0913c3ed86e668d21ac89fe38d59129",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.641,
"b": 62.506,
"c": 68.179,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.75000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,0.94],
"number_observations_unique": 141942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.9
}
]
},
"refln_shells": [
{
"resolution_limits": [0.96,0.94],
"number_observations_unique": 6969,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.260
},
{
"type": "R(meas)",
"value": 1.358
},
{
"type": "R(pim)",
"value": 0.503
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [0.97,0.96],
"number_observations_unique": 6985,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(meas)",
"value": 1.213
},
{
"type": "R(pim)",
"value": 0.448
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.604
}
]
},
{
"resolution_limits": [0.99,0.97],
"number_observations_unique": 6896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.963
},
{
"type": "R(meas)",
"value": 1.038
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.660
}
]
},
{
"resolution_limits": [1.010,0.99],
"number_observations_unique": 7017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.844
},
{
"type": "R(meas)",
"value": 0.910
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [1.030,1.010],
"number_observations_unique": 7018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.743
},
{
"type": "R(meas)",
"value": 0.8
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [1.06,1.03],
"number_observations_unique": 6999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.633
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [1.09,1.060],
"number_observations_unique": 7042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.110,1.090],
"number_observations_unique": 7029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.15,1.11],
"number_observations_unique": 7077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.18,1.15],
"number_observations_unique": 7072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [1.23,1.18],
"number_observations_unique": 7047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.28,1.23],
"number_observations_unique": 7107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.33,1.28],
"number_observations_unique": 7074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.4,1.33],
"number_observations_unique": 7125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.49,1.4],
"number_observations_unique": 7108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.61,1.49],
"number_observations_unique": 7120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.8
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.77,1.61],
"number_observations_unique": 7160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 14.7
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.03,1.77],
"number_observations_unique": 7226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.15
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 14.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.55,2.03],
"number_observations_unique": 7252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 14.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50,2.55],
"number_observations_unique": 7529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}