Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5db5cfef44106bdec46e3e3841ee12ca",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.520,
"b": 93.540,
"c": 93.681,
"alpha": 90.00,
"beta": 108.17,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.010,1.540],
"number_observations": 470802,
"number_observations_unique": 137721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 35417,
"number_observations_unique": 10163,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.290
},
{
"type": "R(meas)",
"value": 1.527
},
{
"type": "R(pim)",
"value": 0.808
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.500
}
]
},
{
"resolution_limits": [89.010,6.890],
"number_observations": 5845,
"number_observations_unique": 1612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 58.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}