Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a354fc98916c6b582b219bd48c548b0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.784,
"b": 69.585,
"c": 57.546,
"alpha": 90.00,
"beta": 92.34,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.470,1.550],
"number_observations": 416028,
"number_observations_unique": 61217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 16215,
"number_observations_unique": 2880,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.160
},
{
"type": "R(meas)",
"value": 2.385
},
{
"type": "R(pim)",
"value": 0.996
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.274
}
]
},
{
"resolution_limits": [57.470,8.500],
"number_observations": 2449,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
}
]
}