Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34a355787895314ec8bf5b3aa6fe4c14",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 93.572,
"b": 127.755,
"c": 139.337,
"alpha": 90.00,
"beta": 101.12,
"gamma": 90.00
},
"wavelengths": [1.03000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [136.720,2.730],
"number_observations": 288747,
"number_observations_unique": 84933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.730],
"number_observations": 43223,
"number_observations_unique": 12359,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.794
},
{
"type": "R(meas)",
"value": 2.120
},
{
"type": "R(pim)",
"value": 1.122
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [136.720,8.640],
"number_observations": 9194,
"number_observations_unique": 2783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}