Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60bcc329a4e0fda736a5efd03befa039",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.443,
"b": 57.312,
"c": 49.682,
"alpha": 90.00,
"beta": 112.21,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.790,2.700],
"number_observations": 25372,
"number_observations_unique": 6987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"number_observations": 2066,
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.691
},
{
"type": "R(meas)",
"value": 0.802
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [48.790,12.080],
"number_observations": 291,
"number_observations_unique": 92,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}