Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0b35eca18e85e8664d8ba16ac287908",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.969,
"b": 61.482,
"c": 53.116,
"alpha": 90.00,
"beta": 106.76,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.060,1.620],
"number_observations_unique": 34634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 1681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [43.060,8.870],
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}