Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0851404db0d24140b5594f76c4fa255c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.52,
"b": 62.93,
"c": 104.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.000,1.630],
"number_observations": 440139,
"number_observations_unique": 48845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 19653,
"number_observations_unique": 2397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [51.000,8.920],
"number_observations": 2818,
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}