Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "260409ffdfc9efd2dc08e5e7d4735bdd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.952,
"b": 102.429,
"c": 145.570,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11582],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.520,2.100],
"number_observations": 239657,
"number_observations_unique": 38782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 16781,
"number_observations_unique": 2844,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.992
},
{
"type": "R(meas)",
"value": 2.183
},
{
"type": "R(pim)",
"value": 0.878
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.289
}
]
},
{
"resolution_limits": [48.520,8.920],
"number_observations": 3370,
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}