Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b54a4e57e8385fdf632badcceea6d367",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 88.249,
"b": 132.237,
"c": 93.413,
"alpha": 90.00,
"beta": 116.92,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.350,2.780],
"number_observations": 239812,
"number_observations_unique": 46887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.780],
"number_observations": 17890,
"number_observations_unique": 3661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.904
},
{
"type": "R(meas)",
"value": 1.012
},
{
"type": "R(pim)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 77.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
},
{
"resolution_limits": [29.350,10.760],
"number_observations": 3727,
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}