Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04c1260115beebff125f535dbc1b6c76",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.374,
"b": 52.601,
"c": 44.475,
"alpha": 90.0,
"beta": 103.0,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.710,1.340],
"number_observations": 155920,
"number_observations_unique": 49860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 2424,
"number_observations_unique": 1240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.948
},
{
"type": "R(meas)",
"value": 1.259
},
{
"type": "R(pim)",
"value": 0.819
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 42.700
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [54.710,7.210],
"number_observations": 1397,
"number_observations_unique": 399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}