Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "864af2e4dce556e14167fe2772f05a8b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.691,
"b": 88.639,
"c": 81.398,
"alpha": 90.00,
"beta": 95.03,
"gamma": 90.00
},
"wavelengths": [0.95365],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.5620,1.870],
"number_observations_unique": 61471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 27947,
"number_observations_unique": 3872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "R(meas)",
"value": 0.808
},
{
"type": "R(pim)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [46.560,8.980],
"number_observations": 4067,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}