Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6587f4c8847dbfd55bcbbc2f0d04d59",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 183.665,
"b": 183.665,
"c": 55.370,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [159.060,3.21],
"number_observations_unique": 17752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.430,3.210],
"number_observations": 32010,
"number_observations_unique": 3139,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.145
},
{
"type": "R(meas)",
"value": 4.363
},
{
"type": "R(pim)",
"value": 1.344
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.452
}
]
},
{
"resolution_limits": [159.060,9.070],
"number_observations": 8425,
"number_observations_unique": 846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}