Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab5906eeb9a008f5acc22d660fa1f8cf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.28,
"b": 86.72,
"c": 153.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.280,2.430],
"number_observations": 147667,
"number_observations_unique": 34088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.430],
"number_observations_unique": 2529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.986
},
{
"type": "R(meas)",
"value": 1.116
},
{
"type": "R(pim)",
"value": 0.514
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.580
}
]
},
{
"resolution_limits": [67.280,10.870],
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}