Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df9485119cc4d7abd7ef6e8770254516",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.600,
"b": 64.449,
"c": 74.367,
"alpha": 90.00,
"beta": 125.84,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.660,2.290],
"number_observations": 82558,
"number_observations_unique": 19968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.290],
"number_observations": 6128,
"number_observations_unique": 1554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.773
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [47.660,8.880],
"number_observations": 1376,
"number_observations_unique": 369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 39.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}