Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d70312c264cb93ac7c9ae6400a9c9194",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.934,
"b": 79.283,
"c": 68.412,
"alpha": 90.00,
"beta": 91.21,
"gamma": 90.00
},
"wavelengths": [1.03960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.430,2.190],
"number_observations": 90314,
"number_observations_unique": 24030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.190],
"number_observations": 7117,
"number_observations_unique": 1961,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.175
},
{
"type": "R(meas)",
"value": 1.382
},
{
"type": "R(pim)",
"value": 0.720
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.370
}
]
},
{
"resolution_limits": [29.430,9.040],
"number_observations": 1194,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}