Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a988201968a40ceea340c6ef78168569",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.03,
"b": 57.06,
"c": 99.50,
"alpha": 90.00,
"beta": 104.98,
"gamma": 90.00
},
"wavelengths": [0.87290],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.060,2.500],
"number_observations": 150287,
"number_observations_unique": 22767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 17021,
"number_observations_unique": 2563,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.376
},
{
"type": "R(meas)",
"value": 1.493
},
{
"type": "R(pim)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.635
}
]
},
{
"resolution_limits": [49.060,9.010],
"number_observations": 3217,
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}