Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7df4408143e8156eb6cc829bddb1da74",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.063,
"b": 56.384,
"c": 101.567,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.030,1.580],
"number_observations": 289556,
"number_observations_unique": 44032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 19972,
"number_observations_unique": 3136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.889
},
{
"type": "R(meas)",
"value": 0.967
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [29.030,7.060],
"number_observations": 3589,
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 88.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}