Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2473b25a62b213aa8feab8c817d3696",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 69.632,
"b": 69.632,
"c": 79.442,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.53],
"number_observations": 638316,
"number_observations_unique": 34040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.56,1.53],
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.347
},
{
"type": "R(meas)",
"value": 1.414
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [1.58,1.56],
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.092
},
{
"type": "R(meas)",
"value": 1.135
},
{
"type": "R(pim)",
"value": 0.297
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [1.62,1.58],
"number_observations_unique": 1652,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.132
},
{
"type": "R(meas)",
"value": 1.166
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.4
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.65,1.62],
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.007
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.6
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.854
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.0
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.72,1.68],
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.781
},
{
"type": "R(meas)",
"value": 0.802
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.77,1.72],
"number_observations_unique": 1675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.81,1.77],
"number_observations_unique": 1689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.1
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.87,1.81],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.93,1.87],
"number_observations_unique": 1710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.00,1.93],
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.08,2.00],
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.7
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.17,2.08],
"number_observations_unique": 1689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.29,2.17],
"number_observations_unique": 1696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.43,2.29],
"number_observations_unique": 1712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.62,2.43],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.88,2.62],
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.30,2.88],
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.15,3.30],
"number_observations_unique": 1735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,4.15],
"number_observations_unique": 1857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}