Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a61fa41ff08725494017c93d8fe93ddd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.70,
"b": 67.76,
"c": 138.54,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.700,2.540],
"number_observations": 143401,
"number_observations_unique": 21749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.540],
"number_observations": 10100,
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.862
},
{
"type": "R(meas)",
"value": 4.213
},
{
"type": "R(pim)",
"value": 1.664
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.254
}
]
},
{
"resolution_limits": [67.700,11.360],
"number_observations": 1470,
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}