Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d136251e5e136eb0482a98a8214fa048",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.56,
"b": 114.46,
"c": 121.01,
"alpha": 90.00,
"beta": 100.39,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.46,2.140],
"number_observations_unique": 107619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 26134,
"number_observations_unique": 7933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.925
},
{
"type": "R(meas)",
"value": 1.107
},
{
"type": "R(pim)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [72.350,9.570],
"number_observations": 4508,
"number_observations_unique": 1238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}