Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3ec8cf8e15a75ef4711b78995d007d13",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.863,
"b": 67.281,
"c": 67.204,
"alpha": 90.00,
"beta": 96.83,
"gamma": 90.00
},
"wavelengths": [1.07820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.281,2.395],
"number_observations_unique": 15587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.403,2.395],
"number_observations": 298,
"number_observations_unique": 93,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "R(pim)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 60.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.720
}
]
},
{
"resolution_limits": [67.281,11.099],
"number_observations": 511,
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}