Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c57408c5f1079ca563a5a859e4602442",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 33.321,
"b": 53.983,
"c": 100.013,
"alpha": 90.00,
"beta": 98.55,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.450,2.700],
"number_observations_unique": 7915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 1409,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.479
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [49.450,8.960],
"number_observations": 290,
"number_observations_unique": 125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}