Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b24f34fbbfc2d71a932e908778813113",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.04,
"b": 56.37,
"c": 101.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.2960,1.770],
"number_observations": 206532,
"number_observations_unique": 31939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.770],
"number_observations": 16203,
"number_observations_unique": 2353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [49.300,7.920],
"number_observations": 2558,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}