Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b82b4420f2c43684f1652c37c2909a1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.595,
"b": 96.072,
"c": 57.853,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.930,1.720],
"number_observations": 136806,
"number_observations_unique": 23990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 2751,
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.746
},
{
"type": "R(meas)",
"value": 0.884
},
{
"type": "R(pim)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 70.000
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [28.930,8.770],
"number_observations": 1329,
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}