Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca1851dcda8f70a181e745ec59c20299",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 91.668,
"b": 65.830,
"c": 172.809,
"alpha": 90.00,
"beta": 97.76,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.830,2.270],
"number_observations": 319239,
"number_observations_unique": 93409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.270],
"number_observations": 49137,
"number_observations_unique": 13725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "R(meas)",
"value": 0.674
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [90.830,7.180],
"number_observations": 10564,
"number_observations_unique": 3087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}