Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92881637662b54e55e2c62badf094866",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 217.882,
"b": 217.882,
"c": 147.203,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.720,2.200],
"number_observations": 4871537,
"number_observations_unique": 177978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 27.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 240131,
"number_observations_unique": 8703,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.549
},
{
"type": "R(meas)",
"value": 2.597
},
{
"type": "R(pim)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 27.600
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [48.720,12.050],
"number_observations": 31305,
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 25.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}