Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94db2aa3ed4ff23ab70cd10e058c3ca2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.806,
"b": 56.998,
"c": 115.446,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.960,1.680],
"number_observations": 252573,
"number_observations_unique": 39807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 18143,
"number_observations_unique": 2900,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.064
},
{
"type": "R(meas)",
"value": 2.254
},
{
"type": "R(pim)",
"value": 0.897
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.562
}
]
},
{
"resolution_limits": [56.960,7.510],
"number_observations": 3255,
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}