Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c313dc08a5158b227c677d545f68f9e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.961,
"b": 96.562,
"c": 57.641,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.820,1.650],
"number_observations": 174020,
"number_observations_unique": 27516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 5461,
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.887
},
{
"type": "R(meas)",
"value": 1.002
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [28.820,8.740],
"number_observations": 1338,
"number_observations_unique": 215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 64.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}