Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f222abc81b1f42072da9d9affd298d7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.072,
"b": 65.088,
"c": 84.368,
"alpha": 90.00,
"beta": 93.64,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.150,1.990],
"number_observations": 167970,
"number_observations_unique": 50981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 11719,
"number_observations_unique": 3755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.965
},
{
"type": "R(meas)",
"value": 1.165
},
{
"type": "R(pim)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
},
{
"resolution_limits": [84.150,8.900],
"number_observations": 2031,
"number_observations_unique": 616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
}
]
}