Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ffc0caeb0c546a612bc64f0dcff70d0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.640,
"b": 71.302,
"c": 108.590,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.810,1.410],
"number_observations": 402521,
"number_observations_unique": 81686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.410],
"number_observations": 20048,
"number_observations_unique": 4003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 0.995
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [48.810,7.720],
"number_observations": 3122,
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}