Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1673de8e6021f39a210d1eeccc2dc329",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.329,
"b": 80.535,
"c": 57.065,
"alpha": 90.00,
"beta": 113.47,
"gamma": 90.00
},
"wavelengths": [0.95369],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.920,1.550],
"number_observations": 442231,
"number_observations_unique": 63881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 22524,
"number_observations_unique": 3135,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.168
},
{
"type": "R(meas)",
"value": 1.258
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [48.920,8.490],
"number_observations": 2435,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 52.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}