Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69c91eb7f1adf28d853237653ae13d2f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 39.442,
"b": 49.424,
"c": 171.138,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.480,2.080],
"number_observations_unique": 20721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.080],
"number_observations_unique": 1914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.998
},
{
"type": "R(meas)",
"value": 1.111
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.740
}
]
},
{
"resolution_limits": [47.480,8.060],
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}