Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1adff97115c320ea0a7286b48698bbf",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.953,
"b": 96.487,
"c": 57.972,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.990,1.840],
"number_observations": 131744,
"number_observations_unique": 20429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 5660,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.928
},
{
"type": "R(meas)",
"value": 1.024
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 83.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [28.990,9.000],
"number_observations": 1271,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}