Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4172c64560433cbc77cdd138efcf2c48",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 142.246,
"b": 122.605,
"c": 66.821,
"alpha": 90.00,
"beta": 94.51,
"gamma": 90.00
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.50],
"number_observations": 249662,
"number_observations_unique": 38534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [2.54,2.50],
"number_observations_unique": 1902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.976
},
{
"type": "R(meas)",
"value": 1.086
},
{
"type": "R(pim)",
"value": 0.465
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [2.59,2.54],
"number_observations_unique": 1934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.932
},
{
"type": "R(meas)",
"value": 1.026
},
{
"type": "R(pim)",
"value": 0.422
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 1873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.914
},
{
"type": "R(meas)",
"value": 0.996
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.777
}
]
},
{
"resolution_limits": [2.69,2.64],
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.879
},
{
"type": "R(meas)",
"value": 0.951
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [2.75,2.69],
"number_observations_unique": 1927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.845
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [2.82,2.75],
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.695
},
{
"type": "R(meas)",
"value": 0.750
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [2.89,2.82],
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.96,2.89],
"number_observations_unique": 1896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [3.05,2.96],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [3.15,3.05],
"number_observations_unique": 1935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.26,3.15],
"number_observations_unique": 1935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.39,3.26],
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.55,3.39],
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [3.73,3.55],
"number_observations_unique": 1950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.97,3.73],
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.27,3.97],
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.70,4.27],
"number_observations_unique": 1937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.38,4.70],
"number_observations_unique": 1900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [6.78,5.38],
"number_observations_unique": 1962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.00,6.78],
"number_observations_unique": 1991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}