Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0161ed6e83ac721e2abfdefc2fc6e49c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.33,
"b": 81.06,
"c": 88.76,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.833,2.150],
"number_observations_unique": 27625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations_unique": 2388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(meas)",
"value": 1.079
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [36.830,8.860],
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}