Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd87ee430e8f6406d4f586f42a212793",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 101.03,
"b": 149.58,
"c": 57.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.010,2.630],
"number_observations": 176830,
"number_observations_unique": 26629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.630],
"number_observations": 13209,
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [54.010,11.760],
"number_observations": 2108,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}