Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d0608d4cb52afc8112a896c1b02dd94",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.983,
"b": 56.916,
"c": 114.965,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.960,1.610],
"number_observations": 289307,
"number_observations_unique": 45065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 21482,
"number_observations_unique": 3292,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.370
},
{
"type": "R(meas)",
"value": 2.577
},
{
"type": "R(pim)",
"value": 1.004
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [51.960,7.200],
"number_observations": 3710,
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 34.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}