Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48ac3829866f58dcaaf2aee2ef74e637",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 93.136,
"b": 96.336,
"c": 158.684,
"alpha": 90.00,
"beta": 106.72,
"gamma": 90.00
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.170,2.300],
"number_observations": 214591,
"number_observations_unique": 57691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 12342,
"number_observations_unique": 3484,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.169
},
{
"type": "R(meas)",
"value": 1.369
},
{
"type": "R(pim)",
"value": 0.704
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 75.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [48.170,10.030],
"number_observations": 2592,
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}