Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b7bf3af6277a151a0b2765af7775bbe",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.111,
"b": 39.357,
"c": 53.111,
"alpha": 90.00,
"beta": 125.58,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.200,1.920],
"number_observations": 45110,
"number_observations_unique": 11770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.920],
"number_observations": 4506,
"number_observations_unique": 1162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "R(meas)",
"value": 0.751
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [43.200,7.440],
"number_observations": 841,
"number_observations_unique": 230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}