Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10ec078859209b6fc1dcfe6a5d25fcd9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.141,
"b": 101.596,
"c": 182.663,
"alpha": 90.00,
"beta": 91.98,
"gamma": 90.00
},
"wavelengths": [1.00005],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.770,2.740],
"number_observations": 237848,
"number_observations_unique": 54767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.890,2.740],
"number_observations": 32847,
"number_observations_unique": 7944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "R(meas)",
"value": 0.872
},
{
"type": "R(pim)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [88.770,8.680],
"number_observations": 7786,
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}