Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d416b1fcdcf209df0d6d74cda8a947e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.267,
"b": 56.408,
"c": 101.464,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,2.080],
"number_observations": 118339,
"number_observations_unique": 19434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.080],
"number_observations": 7974,
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.160
},
{
"type": "R(meas)",
"value": 3.474
},
{
"type": "R(pim)",
"value": 1.418
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.617
}
]
},
{
"resolution_limits": [29.010,9.310],
"number_observations": 1551,
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 55.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}