Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd8b59833c7cc2f3e401b2ae55de3fca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.644,
"b": 79.676,
"c": 89.436,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.250,1.360],
"number_observations": 633239,
"number_observations_unique": 96357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.360],
"number_observations": 85510,
"number_observations_unique": 13884,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.967
},
{
"type": "R(meas)",
"value": 2.149
},
{
"type": "R(pim)",
"value": 0.857
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
},
{
"resolution_limits": [49.250,4.310],
"number_observations": 20733,
"number_observations_unique": 3318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}