Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21561e866a0505df299635a0cc2222a7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.676,
"b": 96.902,
"c": 57.866,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.930,1.880],
"number_observations": 124524,
"number_observations_unique": 19001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 7436,
"number_observations_unique": 1195,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.044
},
{
"type": "R(meas)",
"value": 1.137
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [28.930,8.810],
"number_observations": 1342,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 79.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}