Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6866db2a3c4d893f585b6f2b05cc6f05",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.692,
"b": 53.798,
"c": 108.063,
"alpha": 90.00,
"beta": 84.26,
"gamma": 90.00
},
"wavelengths": [0.97957],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.800,1.950],
"number_observations": 115581,
"number_observations_unique": 30647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8066,
"number_observations_unique": 2124,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.114
},
{
"type": "R(meas)",
"value": 1.296
},
{
"type": "R(pim)",
"value": 0.660
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [53.800,8.940],
"number_observations": 1173,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}