Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31c37f206968b1c043d40f7ced2dbb71",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.410,
"b": 57.238,
"c": 49.835,
"alpha": 90.0,
"beta": 112.6,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.830,2.700],
"number_observations": 24969,
"number_observations_unique": 7079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"number_observations": 1735,
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.824
},
{
"type": "R(pim)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [48.830,12.080],
"number_observations": 272,
"number_observations_unique": 83,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}