Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f39de1dc0999964ac9ceff7330450b1c",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.735,
"b": 88.735,
"c": 39.544,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.120,1.050],
"number_observations": 909916,
"number_observations_unique": 142607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 11.670
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.381
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 142207,
"number_observations_unique": 22791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.699
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.240
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 138427,
"number_observations_unique": 21569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 3.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.418
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 130375,
"number_observations_unique": 20154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 4.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.469
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 122314,
"number_observations_unique": 18559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 7.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.591
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 110559,
"number_observations_unique": 16799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 12.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.581
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 95790,
"number_observations_unique": 14833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 19.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.458
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 75476,
"number_observations_unique": 12578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 26.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.001
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 60305,
"number_observations_unique": 9797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 31.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.155
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [36.120,3.150],
"number_observations": 34463,
"number_observations_unique": 5527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 33.590
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.235
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}