Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0369cc2df1b0356b576fbd14720311d0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.853,
"b": 27.551,
"c": 56.331,
"alpha": 90.00,
"beta": 99.79,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.630,1.150],
"number_observations": 173665,
"number_observations_unique": 29930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 67.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 136,
"number_observations_unique": 107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.506
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 5.000
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [35.630,6.310],
"number_observations": 1764,
"number_observations_unique": 298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 67.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}