Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc2bf5fb106173d9a1b72e930a4879b4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.146,
"b": 96.527,
"c": 100.224,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.770,1.700],
"number_observations": 421591,
"number_observations_unique": 64590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.700],
"number_observations": 44473,
"number_observations_unique": 6631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [19.770,6.360],
"number_observations": 8106,
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}