Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea9681681b690a9f47abaabfd8645e13",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.31,
"b": 58.84,
"c": 103.58,
"alpha": 90.0,
"beta": 93.1,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.840,1.770],
"number_observations": 341086,
"number_observations_unique": 77250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 16991,
"number_observations_unique": 4209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [58.840,9.040],
"number_observations": 2481,
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
}
]
}