Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b50b951830cb869c793075de3dcdf149",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 31.15,
"b": 53.25,
"c": 111.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91983],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.570,1.840],
"number_observations_unique": 16884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 32.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations_unique": 1199,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.209
},
{
"type": "R(meas)",
"value": 2.299
},
{
"type": "R(pim)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.61
}
]
},
{
"resolution_limits": [38.57,8.23],
"number_observations_unique": 237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 29.2
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 28.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}