Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b29c0457a88eba6993ffd7e3b439be9",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.567,
"b": 46.554,
"c": 103.254,
"alpha": 90.04,
"beta": 89.92,
"gamma": 119.98
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,4.100],
"number_observations": 19061,
"number_observations_unique": 6095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
"refln_shells": [
{
"resolution_limits": [4.250,4.100],
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.480
},
{
"type": "R(pim)",
"value": 0.263
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [4.420,4.250],
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [4.620,4.420],
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [4.860,4.620],
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [5.160,4.860],
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [5.560,5.160],
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [6.110,5.560],
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [6.990,6.110],
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [8.770,6.990],
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [30.000,8.770],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}