Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17c4d86aada567d9eb2734d6c41c5e24",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.119,
"b": 82.304,
"c": 82.389,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.800],
"number_observations": 297558,
"number_observations_unique": 23647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.145
},
{
"type": "R(meas)",
"value": 1.204
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 1113,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.024
},
{
"type": "R(meas)",
"value": 1.071
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.889
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [1.940,1.900],
"number_observations_unique": 1150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.748
},
{
"type": "R(meas)",
"value": 0.778
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [1.980,1.940],
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.640
},
{
"type": "R(meas)",
"value": 0.667
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.574
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.080,2.030],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [2.130,2.080],
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 1179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.350,2.270],
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations_unique": 1195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.690,2.550],
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations_unique": 1184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.880,3.390],
"number_observations_unique": 1224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.880,3.880],
"number_observations_unique": 1237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.000,4.880],
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}