Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8b645ca364c3721fe1d6435922ef5f1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.649,
"b": 67.195,
"c": 79.641,
"alpha": 90.00,
"beta": 99.66,
"gamma": 90.00
},
"wavelengths": [0.97970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.060,1.950],
"number_observations": 563050,
"number_observations_unique": 52358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 36537,
"number_observations_unique": 3871,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.336
},
{
"type": "R(meas)",
"value": 2.474
},
{
"type": "R(pim)",
"value": 0.803
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
},
{
"resolution_limits": [51.060,8.720],
"number_observations": 6351,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}