Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57aee7202fb19a59d8b27402b2c2f212",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.779,
"b": 102.704,
"c": 102.704,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.6230,2.450],
"number_observations_unique": 26487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.450],
"number_observations": 30116,
"number_observations_unique": 2510,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.522
},
{
"type": "R(meas)",
"value": 2.631
},
{
"type": "R(pim)",
"value": 0.739
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [72.620,8.830],
"number_observations": 7459,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}