Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc4f0715a436501fbcc08a8c481512ac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.066,
"b": 82.133,
"c": 32.089,
"alpha": 90.00,
"beta": 117.83,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.070,1.150],
"number_observations": 143432,
"number_observations_unique": 47244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.150],
"number_observations": 13494,
"number_observations_unique": 6245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.873
},
{
"type": "R(meas)",
"value": 1.163
},
{
"type": "R(pim)",
"value": 0.760
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 85.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.389
}
]
},
{
"resolution_limits": [41.070,3.630],
"number_observations": 5449,
"number_observations_unique": 1615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}