Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed386b1b00190363afa9e5a24d43b3f7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.554,
"b": 110.228,
"c": 140.150,
"alpha": 90.000,
"beta": 105.213,
"gamma": 90.000
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.210,2.370],
"number_observations_unique": 81362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.370],
"number_observations": 17807,
"number_observations_unique": 4670,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.703
},
{
"type": "R(meas)",
"value": 1.981
},
{
"type": "R(pim)",
"value": 1.007
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [34.210,12.310],
"number_observations": 2058,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}