Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "661bab309c81943c08ee00892e4a6d1e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.592,
"b": 64.429,
"c": 74.475,
"alpha": 90.00,
"beta": 125.88,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.720,2.510],
"number_observations": 57131,
"number_observations_unique": 15126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.510],
"number_observations": 6289,
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.911
},
{
"type": "R(meas)",
"value": 1.048
},
{
"type": "R(pim)",
"value": 0.511
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [34.720,9.060],
"number_observations": 1169,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}