Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f7d1928eb8a8ccafe51ffd133737a1c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.121,
"b": 96.051,
"c": 57.286,
"alpha": 90.00,
"beta": 92.13,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.170,2.120],
"number_observations": 225765,
"number_observations_unique": 32385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.120],
"number_observations": 18872,
"number_observations_unique": 2605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [49.170,8.990],
"number_observations": 2808,
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}