Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "290daa229e246ce5270962afd554b5e4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 63.09,
"b": 89.51,
"c": 61.07,
"alpha": 90.00,
"beta": 97.55,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.090,1.680],
"number_observations_unique": 38064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations_unique": 2797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.806
},
{
"type": "R(meas)",
"value": 0.967
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [25.070,7.510],
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}