Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ce3d1163794e4dcb4f41d45d5c093d2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.299,
"b": 26.852,
"c": 55.669,
"alpha": 90.00,
"beta": 100.93,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.910,1.290],
"number_observations": 81122,
"number_observations_unique": 29272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 2452,
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.738
},
{
"type": "R(pim)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [39.910,7.070],
"number_observations": 628,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}