Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39821cfba8f4b23412171f548495bb4c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.370,
"b": 93.720,
"c": 93.474,
"alpha": 90.00,
"beta": 108.11,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.480,1.850],
"number_observations": 271525,
"number_observations_unique": 79082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 20433,
"number_observations_unique": 5799,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.028
},
{
"type": "R(meas)",
"value": 1.212
},
{
"type": "R(pim)",
"value": 0.635
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [64.480,8.270],
"number_observations": 3369,
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 68.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}