Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d8dbc6a6ea975cf826dd536fbb528ad",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.736,
"b": 88.736,
"c": 39.479,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.370,1.050],
"number_observations": 919662,
"number_observations_unique": 143108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 11.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.426
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.050],
"number_observations": 144611,
"number_observations_unique": 22987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 2.670
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.291
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.190,1.110],
"number_observations": 139046,
"number_observations_unique": 21627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 4.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.429
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 130922,
"number_observations_unique": 20198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.482
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 122912,
"number_observations_unique": 18631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 9.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.597
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 111021,
"number_observations_unique": 16788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 13.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.613
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 97277,
"number_observations_unique": 14888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 18.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.534
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 77887,
"number_observations_unique": 12626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 23.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.169
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.140,2.230],
"number_observations": 61405,
"number_observations_unique": 9824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 26.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.251
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.370,3.140],
"number_observations": 34581,
"number_observations_unique": 5539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 27.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.243
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}