Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cfacfc1553ea774ffdffa86104da7369",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.861,
"b": 52.958,
"c": 44.518,
"alpha": 90.00,
"beta": 103.22,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.960,1.700],
"number_observations": 97690,
"number_observations_unique": 28113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 4272,
"number_observations_unique": 1439,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.444
},
{
"type": "R(meas)",
"value": 1.753
},
{
"type": "R(pim)",
"value": 0.976
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [54.960,8.990],
"number_observations": 801,
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}