Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59a7d1f3d6b45e6638edc8ed78570215",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.708,
"b": 67.898,
"c": 138.629,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.630,2.180],
"number_observations": 228987,
"number_observations_unique": 34050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.180],
"number_observations": 21193,
"number_observations_unique": 3014,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.264
},
{
"type": "R(meas)",
"value": 3.523
},
{
"type": "R(pim)",
"value": 1.317
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.399
}
]
},
{
"resolution_limits": [138.630,8.720],
"number_observations": 3549,
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
}
]
}