Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84985f53e751d686948cd0578eb906ca",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.136,
"b": 33.595,
"c": 60.224,
"alpha": 90.00,
"beta": 95.53,
"gamma": 90.00
},
"wavelengths": [0.92208],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.970,1.370],
"number_observations": 189651,
"number_observations_unique": 31278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations": 5210,
"number_observations_unique": 1416,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.747
},
{
"type": "R(meas)",
"value": 2.049
},
{
"type": "R(pim)",
"value": 1.040
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.314
}
]
},
{
"resolution_limits": [36.970,7.500],
"number_observations": 1207,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 72.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}