Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d50a9f3bed62802dc103a3b480b4d03b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.88,
"b": 72.38,
"c": 72.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.520,1.120],
"number_observations": 1227310,
"number_observations_unique": 38703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.120],
"number_observations_unique": 2447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 46.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.044
}
]
},
{
"resolution_limits": [72.520,6.150],
"number_observations_unique": 738,
"quality_factors": [
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}