Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a08bbce59226c47b129f19f9faa1f94e",
"space_group_name": "P 63",
"unit_cell": {
"a": 90.553,
"b": 90.553,
"c": 36.844,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.65],
"number_observations": 358895,
"number_observations_unique": 20849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 17.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 991,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.309
},
{
"type": "R(meas)",
"value": 1.427
},
{
"type": "R(pim)",
"value": 0.535
},
{
"type": "Completeness",
"value": 94.0
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.282
}
]
},
{
"resolution_limits": [1.71,1.68],
"number_observations_unique": 1009,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.368
},
{
"type": "R(meas)",
"value": 1.462
},
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [1.74,1.71],
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.224
},
{
"type": "R(meas)",
"value": 1.286
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.565
}
]
},
{
"resolution_limits": [1.78,1.74],
"number_observations_unique": 1027,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.163
},
{
"type": "R(meas)",
"value": 1.213
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [1.82,1.78],
"number_observations_unique": 1021,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.198
},
{
"type": "R(meas)",
"value": 1.240
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [1.86,1.82],
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.121
},
{
"type": "R(meas)",
"value": 1.157
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 16.5
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [1.90,1.86],
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.870
},
{
"type": "R(meas)",
"value": 0.895
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.2
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [1.96,1.90],
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.750
},
{
"type": "R(meas)",
"value": 0.769
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.7
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.01,1.96],
"number_observations_unique": 1038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.0
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.08,2.01],
"number_observations_unique": 1038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.7
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.15,2.08],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.9
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.24,2.15],
"number_observations_unique": 1020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.34,2.24],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.6
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.46,2.34],
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.5
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.62,2.46],
"number_observations_unique": 1036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.82,2.62],
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.11,2.82],
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.55,3.11],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.48,3.55],
"number_observations_unique": 1075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,4.48],
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}