Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0c6701020ae6352125ef3d1aa18ffa7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.8,
"b": 45.5,
"c": 83.6,
"alpha": 90.00,
"beta": 102.04,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.050,1.720],
"number_observations": 168108,
"number_observations_unique": 49336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.720],
"number_observations": 12849,
"number_observations_unique": 3682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.733
}
]
},
{
"resolution_limits": [39.050,7.690],
"number_observations": 2045,
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}